2-[1-(benzylamino)propyl]guanidine

C11H18N4 — CID 23619124

IUPAC2-[1-(benzylamino)propyl]guanidine
SMILESCCC(N=C(N)N)NCc1ccccc1
InChIInChI=1S/C11H18N4/c1-2-10(15-11(12)13)14-8-9-6-4-3-5-7-9/h3-7,10,14H,2,8H2,1H3,(H4,12,13,15)
InChIKeyCGNYLZWYIORQFL-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.79
Rot. Bonds5

About 2-[1-(benzylamino)propyl]guanidine

2-[1-(benzylamino)propyl]guanidine (PubChem CID 23619124) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[1-(benzylamino)propyl]guanidine.

Molecular Properties

Compound Name2-[1-(benzylamino)propyl]guanidine
PubChem CID23619124
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-[1-(benzylamino)propyl]guanidine
SMILESCCC(N=C(N)N)NCc1ccccc1
InChIInChI=1S/C11H18N4/c1-2-10(15-11(12)13)14-8-9-6-4-3-5-7-9/h3-7,10,14H,2,8H2,1H3,(H4,12,13,15)
InChIKeyCGNYLZWYIORQFL-UHFFFAOYSA-N
XLogP0.79
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(benzylamino)butanamide
CID 131998527
N-benzyl-2,2-dimethylpentan-3-amine
CID 11206526
4-(benzylamino)hexan-3-ol
CID 123502120
deuteriomethyl 2-(benzylamino)butanoate
CID 170776143
(2S,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611871
(2S,3S)-N-benzyl-3-methylpentan-2-amine
CID 28611874
(2R,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611865
methyl (2S)-2-(benzylamino)-3-methylpentanoate
CID 71027070
benzyl (2S)-2-(benzylamino)butanoate
CID 59758756
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
2-[1-(benzylamino)propyl]aniline
CID 12628946
2-N-benzyl-3-methylhexane-1,2-diamine
CID 65382953

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzylamino)propyl]guanidine?
The IUPAC name of 2-[1-(benzylamino)propyl]guanidine (CID 23619124) is 2-[1-(benzylamino)propyl]guanidine.
What is the SMILES notation for 2-[1-(benzylamino)propyl]guanidine?
The canonical SMILES for 2-[1-(benzylamino)propyl]guanidine is CCC(N=C(N)N)NCc1ccccc1.
What is the InChIKey of 2-[1-(benzylamino)propyl]guanidine?
The InChIKey is CGNYLZWYIORQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-2-10(15-11(12)13)14-8-9-6-4-3-5-7-9/h3-7,10,14H,2,8H2,1H3,(H4,12,13,15).
What are the key properties of 2-[1-(benzylamino)propyl]guanidine?
2-[1-(benzylamino)propyl]guanidine has a molecular weight of 206.29 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzylamino)propyl]guanidine is sourced from PubChem (CID 23619124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).